2,3,4,6,7,8-hexahydro-7,7-dimethyl-1-trifluoroacetyl-5(1H)-quinolinone | 1454286-93-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,4,6,7,8-hexahydro-7,7-dimethyl-1-trifluoroacetyl-5(1H)-quinolinone
• 英文别名: 7,7-dimethyl-1-(2,2,2-trifluoroacetyl)-3,4,6,8-tetrahydro-2H-quinolin-5-one
• CAS: 1454286-93-1
• 化学式: C₁₃H₁₆F₃NO₂
• 分子量: 275.271
• InChiKey: KSQWNRCMVHYRPE-UHFFFAOYSA-N

物化性质

• 沸点：
  331.0±42.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3,4,6,7,8-hexahydro-7,7-dimethyl-1-trifluoroacetyl-5(1H)-quinolinone 、 manganese triacetate 以 苯 为溶剂， 反应 96.0h， 以65%的产率得到6-acetoxy-2,3,4,6,7,8-hexahydro-7,7-dimethyl-1-trifluoroacetyl-5(1H)-quinolinone
  参考文献：
  名称：

  Mn(OAc)3-Based α’-Oxidative Acetoxylation of N-Trifluoroacetyl Vinylogous Amides

  摘要：

  Vinylogous amides 1 and 11 are oxidized by dried Mn(OAc)(3) in benzene at 90 degrees C to pyridines 5 and 12, respectively, whereas the analogous N-trifluoroacetyl vinylogous amides 6 and 13 are oxidized by dried Mn(OAc)(3) in benzene at 120 degrees C to give acetates 7 and 14. The alpha'-oxo radicals that are generated in this oxidation cyclize to proximal double bonds to give tricylic alkenes such as 20.

  DOI：

  10.3987/com-12-s(n)95
• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 在 2,6-二甲基吡啶 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 2,3,4,6,7,8-hexahydro-7,7-dimethyl-1-trifluoroacetyl-5(1H)-quinolinone
  参考文献：
  名称：

  Mn(OAc)3-Based α’-Oxidative Acetoxylation of N-Trifluoroacetyl Vinylogous Amides

  摘要：

  Vinylogous amides 1 and 11 are oxidized by dried Mn(OAc)(3) in benzene at 90 degrees C to pyridines 5 and 12, respectively, whereas the analogous N-trifluoroacetyl vinylogous amides 6 and 13 are oxidized by dried Mn(OAc)(3) in benzene at 120 degrees C to give acetates 7 and 14. The alpha'-oxo radicals that are generated in this oxidation cyclize to proximal double bonds to give tricylic alkenes such as 20.

  DOI：

  10.3987/com-12-s(n)95

文献信息

• Mn(OAc)3-Based α’-Oxidative Acetoxylation of N-Trifluoroacetyl Vinylogous Amides
  作者：Barry B. Snider、Hong-Yu Lin

  DOI：10.3987/com-12-s(n)95

  日期：——

  Vinylogous amides 1 and 11 are oxidized by dried Mn(OAc)(3) in benzene at 90 degrees C to pyridines 5 and 12, respectively, whereas the analogous N-trifluoroacetyl vinylogous amides 6 and 13 are oxidized by dried Mn(OAc)(3) in benzene at 120 degrees C to give acetates 7 and 14. The alpha'-oxo radicals that are generated in this oxidation cyclize to proximal double bonds to give tricylic alkenes such as 20.